N,N-diethyl-4-(2-thiophen-3-ylethoxy)benzenesulfonamide

C16H21NO3S2 — CID 101025085

IUPACN,N-diethyl-4-(2-thiophen-3-ylethoxy)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OCCc2ccsc2)cc1
InChIInChI=1S/C16H21NO3S2/c1-3-17(4-2)22(18,19)16-7-5-15(6-8-16)20-11-9-14-10-12-21-13-14/h5-8,10,12-13H,3-4,9,11H2,1-2H3
InChIKeyCATYUBJUCPYMDG-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.40
Rot. Bonds8

About N,N-diethyl-4-(2-thiophen-3-ylethoxy)benzenesulfonamide

N,N-diethyl-4-(2-thiophen-3-ylethoxy)benzenesulfonamide (PubChem CID 101025085) has the molecular formula C16H21NO3S2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N,N-diethyl-4-(2-thiophen-3-ylethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(2-thiophen-3-ylethoxy)benzenesulfonamide
PubChem CID101025085
Molecular FormulaC16H21NO3S2
Molecular Weight339.48 g/mol
Exact Mass339.10
IUPAC NameN,N-diethyl-4-(2-thiophen-3-ylethoxy)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OCCc2ccsc2)cc1
InChIInChI=1S/C16H21NO3S2/c1-3-17(4-2)22(18,19)16-7-5-15(6-8-16)20-11-9-14-10-12-21-13-14/h5-8,10,12-13H,3-4,9,11H2,1-2H3
InChIKeyCATYUBJUCPYMDG-UHFFFAOYSA-N
XLogP3.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(2-thiophen-3-ylethoxy)benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-(2-thiophen-3-ylethoxy)benzenesulfonamide (CID 101025085) is N,N-diethyl-4-(2-thiophen-3-ylethoxy)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-(2-thiophen-3-ylethoxy)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-(2-thiophen-3-ylethoxy)benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(OCCc2ccsc2)cc1.
What is the InChIKey of N,N-diethyl-4-(2-thiophen-3-ylethoxy)benzenesulfonamide?
The InChIKey is CATYUBJUCPYMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S2/c1-3-17(4-2)22(18,19)16-7-5-15(6-8-16)20-11-9-14-10-12-21-13-14/h5-8,10,12-13H,3-4,9,11H2,1-2H3.
What are the key properties of N,N-diethyl-4-(2-thiophen-3-ylethoxy)benzenesulfonamide?
N,N-diethyl-4-(2-thiophen-3-ylethoxy)benzenesulfonamide has a molecular weight of 339.48 g/mol, XLogP of 3.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(2-thiophen-3-ylethoxy)benzenesulfonamide is sourced from PubChem (CID 101025085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).